2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide

C16H27N3O2S — CID 42739090

IUPAC2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide
SMILESCCCC(Sc1nc(CC)cc(=O)n1C)C(=O)NCC(C)C
InChIInChI=1S/C16H27N3O2S/c1-6-8-13(15(21)17-10-11(3)4)22-16-18-12(7-2)9-14(20)19(16)5/h9,11,13H,6-8,10H2,1-5H3,(H,17,21)
InChIKeyQNWNQINXOTVATH-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.38
Rot. Bonds8

About 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide (PubChem CID 42739090) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide
PubChem CID42739090
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide
SMILESCCCC(Sc1nc(CC)cc(=O)n1C)C(=O)NCC(C)C
InChIInChI=1S/C16H27N3O2S/c1-6-8-13(15(21)17-10-11(3)4)22-16-18-12(7-2)9-14(20)19(16)5/h9,11,13H,6-8,10H2,1-5H3,(H,17,21)
InChIKeyQNWNQINXOTVATH-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide?
The IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide (CID 42739090) is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide is CCCC(Sc1nc(CC)cc(=O)n1C)C(=O)NCC(C)C.
What is the InChIKey of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide?
The InChIKey is QNWNQINXOTVATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-6-8-13(15(21)17-10-11(3)4)22-16-18-12(7-2)9-14(20)19(16)5/h9,11,13H,6-8,10H2,1-5H3,(H,17,21).
What are the key properties of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide?
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide has a molecular weight of 325.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 42739090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).